SCHEMBL1607268

SCHEMBL1607268

O=C(Nc1nccs1)c1c[nH]c2cc(F)ccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
NPC1 O15118 5/20 0.56
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 2/20 0.56
GAA P10253 4/20 0.51
MGAM O43451 3/20 0.51
SI P14410 3/20 0.51
MGAM2 Q2M2H8 3/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.48
KCNMA1 Q12791 1/20 0.47
GCK P35557 1/20 0.46
GLA P06280 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1606455 0.83 NPC1 (0.79) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2652484 0.80 RAB9A (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL23727897 0.75 NPC1 (0.60) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL30136193 0.75 NPC1 (0.60) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL10686239 0.75 RAB9A (0.70) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL29176352 0.75 CFTR (0.57) RAB9ANPC1MEN1KMT2A
SCHEMBL1607858 0.73 ALDH1A1 (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2642733 0.72 NPC1 (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL11924959 0.72 RAB9A (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
6-Fluorocamalexin SCHEMBL12993648 0.71 TDO2 (0.55)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148413-B2 N-heteroaryl indole carboxamides and analogues thereof, for use as glucokinase activators in the treatment of diabetes TRANSTECH PHARMA, INC. (US) 2012-04-03 US disclosed
US-20110082144-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES TRANSTECH PHARMA, INC. (US) 2011-04-07 US disclosed
US-7812043-B2 N-heteroaryl indole carboxamides and analogues thereof, for use as glucokinase activators in the treatment of diabetes TRANSTECH PHARMA, INC. (US) 2010-10-12 US disclosed
US-20070027140-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glcokinase activators in the treatment of diabetes NOVO NORDISK A/S (DK) 2007-02-01 US disclosed
EP-1689392-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2006-08-16 EP disclosed
WO-2005049019-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2005-06-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070027140-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glcokinase activators in the treatment of diabetes GALK1, GCKR, GCK RAB9A 4493/4885NPC1 4060/4885ALDH1A1 2638/4885
US-20110082144-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES GCKR, GCK, GALK1 RAB9A 3609/4885NPC1 3131/4885ALDH1A1 1240/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.